SCHEMBL8716048

SCHEMBL8716048

C=C(C)COc1cc(C)c(NC=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
PTPRB P23467 1/20 0.48
HSD17B10 Q99714 1/20 0.48
OGG1 O15527 1/20 0.41
KAT6A Q92794 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GPR174 Q9BXC1 1/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 3/20 0.35
NOD2 Q9HC29 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8712749 0.81 NPSR1 (0.39) HPGDPTPRBHSD17B10GPR174LMNA
SCHEMBL8877323 0.79 HPGD (0.46) HPGDPTPRBHSD17B10OGG1KAT6A
SCHEMBL8714296 0.76 KDM4E (0.35) HPGDPTPRBHSD17B10LMNAALDH1A1
SCHEMBL8716052 0.73 HPGD (0.35) HPGDPTPRBHSD17B10TSHR
SCHEMBL28027411 0.73 ALDH1A1 (0.54) HPGDPTPRBHSD17B10OGG1KAT6A
SCHEMBL10500612 0.72 FFAR4 (0.47) HPGDALDH1A1TSHRMEN1KMT2A
SCHEMBL25732547 0.69 POLB (0.44) HPGDPTPRBHSD17B10OGG1LMNA
SCHEMBL25732294 0.69 S1PR4 (0.35) LMNAALDH1A1
SCHEMBL17044563 0.68 PLA2G2A (0.53) HPGDPTPRBHSD17B10GPR174POLB
SCHEMBL19523892 0.68 KMT2A (0.43) HPGDHSD17B10L3MBTL1GPR174LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770772-A 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
US-5594154-A 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
US-5478844-A Method of using aminocoumaran derivatives for treating cerebrovascular diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0483772-B1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-09-13 EP disclosed
US-5376681-A Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-27 US disclosed
EP-0483772-A1 Aminocoumaran derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-05-06 EP disclosed